José Daniel
Sierra Murillo
PROFESOR CONTRATADO DOCTOR -TIPO 1
Universitat de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de Universitat de Barcelona (9)
2014
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Understanding the effect of vibrational excitation in reaction dynamics: The Ne + H2 +(v = 0-17, j = 1) → NeH+ + H, Ne + H+ + H proton transfer and dissociation cross sections
Physical Chemistry Chemical Physics, Vol. 16, Núm. 14, pp. 6641-6648
2011
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Quasi-classical trajectory-Gaussian binning study of the OH + D2 → HOD(v 1′, v 2′, v 3′) + D Angle-velocity and vibrational distributions at a collision energy of 0.28 eV
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, Vol. 115, Núm. 26, pp. 7413-7417
2009
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The OH+D2 -> HOD+D angle-velocity distributions: quasi-classical trajectory calculations on the YZCL2 and WSLFH potential energy surfaces and comparison with experiments at ET=0.28 eV.
Physical Chemistry Chemical Physics, Vol. 11, Núm. 48, pp. 11520-11527
2008
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Time dependent quantum dynamics study of the Ne+ + H2(v=0-4) -> NeH+ + H proton transfer reaction
Journal of Chemical Physics, Vol. 128, Núm. 19, pp. 1943071-1943078
2006
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Time dependent quantum dynamics study of the O+ + H2(v=0,j=0) -> OH+ + H ion-molecule reaction and isotopic variants (D2, HD).
Journal of Chemical Physics, Vol. 125, Núm. 16, pp. 1-7
2005
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Cross sections of the O+(4S) + H2(X1Sg+) -> OH+(X3S-) + H(2S) ion-molecule reaction and isotopic variants (D2, HD): Quassiclasical trajectory study and comparison with experiments.
Journal of Chemical Physics, Vol. 123, Núm. 17, pp. 1-7
2004
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A QCT study of the cross section, energy and angular distributions of the OH+D2 -> HOD+D reaction at ET=0.28 eV on the YZCL2 surface.
Chemical Physics Letters, Vol. 399, Núm. 4, pp. 527-533
2001
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Ab initio ground PES and QCT study of the influence of molecular alignment and vibrational excitation on the K+HF --> KF+H reaction
Physical Chemistry Chemical Physics, Vol. 3, Núm. 21, pp. 4701-4711
1997
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Quasiclassical trajectory study of molecular alignment effects on the dynamics of the reactions of Cl, Br and I whith H2
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, Vol. 101, Núm. 41, pp. 7513-7521